10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C20H26N2O2 — CID 44570065

IUPAC10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCCC12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)C2C
InChIInChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)
InChIKeyNBEPKKBOGWVFFT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.75
Rot. Bonds4

About 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 44570065) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID44570065
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCCC12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)C2C
InChIInChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)
InChIKeyNBEPKKBOGWVFFT-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 44570065) is 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is CCC12CCN(CC3CC3)C(C(=O)c3ccc(C(N)=O)cc31)C2C.
What is the InChIKey of 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is NBEPKKBOGWVFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24).
What are the key properties of 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-ethyl-13-methyl-8-oxo-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 44570065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).